2-chloro-N-cyclohexyl-2-(4-propoxyphenyl)acetamide

C17H24ClNO2 — CID 62496114

IUPAC2-chloro-N-cyclohexyl-2-(4-propoxyphenyl)acetamide
SMILESCCCOc1ccc(C(Cl)C(=O)NC2CCCCC2)cc1
InChIInChI=1S/C17H24ClNO2/c1-2-12-21-15-10-8-13(9-11-15)16(18)17(20)19-14-6-4-3-5-7-14/h8-11,14,16H,2-7,12H2,1H3,(H,19,20)
InChIKeyLEPPUBTWZPPSAD-UHFFFAOYSA-N
MW309.84 g/mol
LogP4.20
Rot. Bonds6

About 2-chloro-N-cyclohexyl-2-(4-propoxyphenyl)acetamide

2-chloro-N-cyclohexyl-2-(4-propoxyphenyl)acetamide (PubChem CID 62496114) has the molecular formula C17H24ClNO2 and a molecular weight of 309.84 g/mol. Its IUPAC name is 2-chloro-N-cyclohexyl-2-(4-propoxyphenyl)acetamide.

Molecular Properties

Compound Name2-chloro-N-cyclohexyl-2-(4-propoxyphenyl)acetamide
PubChem CID62496114
Molecular FormulaC17H24ClNO2
Molecular Weight309.84 g/mol
Exact Mass309.15
IUPAC Name2-chloro-N-cyclohexyl-2-(4-propoxyphenyl)acetamide
SMILESCCCOc1ccc(C(Cl)C(=O)NC2CCCCC2)cc1
InChIInChI=1S/C17H24ClNO2/c1-2-12-21-15-10-8-13(9-11-15)16(18)17(20)19-14-6-4-3-5-7-14/h8-11,14,16H,2-7,12H2,1H3,(H,19,20)
InChIKeyLEPPUBTWZPPSAD-UHFFFAOYSA-N
XLogP4.20
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.84
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-cyclopentyl-2-(4-propoxyphenyl)acetamide
CID 62496113
2-chloro-N-cyclohexyl-2-[4-(difluoromethoxy)phenyl]acetamide
CID 62226849
N-cyclohexyl-4-propoxybenzamide
CID 4938429
2-chloro-2-(4-propoxyphenyl)acetic acid
CID 82288302
2-chloro-N-cyclohexyl-2-phenylacetamide
CID 11032339
2-(cyclopentylamino)-2-(4-propoxyphenyl)acetamide
CID 62495956
2-chloro-N-cyclopentyl-2-(4-fluorophenyl)acetamide
CID 62224247
1-cyclopentyl-3-(4-propoxyphenyl)urea
CID 110774502
2-chloro-N-cyclopentyl-2-(4-methylsulfanylphenyl)acetamide
CID 62224974
2-chloro-2-(4-propoxyphenyl)-1-pyrrolidin-1-ylethanone
CID 62496445
2-chloro-N-cyclohexyl-2-(3,5-dimethoxyphenyl)acetamide
CID 62224981
[(2R)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 4-propoxybenzoate
CID 7211747

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-cyclohexyl-2-(4-propoxyphenyl)acetamide?
The IUPAC name of 2-chloro-N-cyclohexyl-2-(4-propoxyphenyl)acetamide (CID 62496114) is 2-chloro-N-cyclohexyl-2-(4-propoxyphenyl)acetamide.
What is the SMILES notation for 2-chloro-N-cyclohexyl-2-(4-propoxyphenyl)acetamide?
The canonical SMILES for 2-chloro-N-cyclohexyl-2-(4-propoxyphenyl)acetamide is CCCOc1ccc(C(Cl)C(=O)NC2CCCCC2)cc1.
What is the InChIKey of 2-chloro-N-cyclohexyl-2-(4-propoxyphenyl)acetamide?
The InChIKey is LEPPUBTWZPPSAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClNO2/c1-2-12-21-15-10-8-13(9-11-15)16(18)17(20)19-14-6-4-3-5-7-14/h8-11,14,16H,2-7,12H2,1H3,(H,19,20).
What are the key properties of 2-chloro-N-cyclohexyl-2-(4-propoxyphenyl)acetamide?
2-chloro-N-cyclohexyl-2-(4-propoxyphenyl)acetamide has a molecular weight of 309.84 g/mol, XLogP of 4.20, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-cyclohexyl-2-(4-propoxyphenyl)acetamide is sourced from PubChem (CID 62496114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).